Basic information
- Standard SMILES
c1ccc(COC[C@H]2CO2)cc1- InChIKey
QNYBOILAKBSWFG-JTQLQIEISA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- (-)-Benzyl (R)-glycidyl ether
- IUPAC
- (2R)-2-(phenylmethoxymethyl)oxirane
- English name
- (R)-(-)-Benzyl glycidyl ether
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
(-)-Benzyl (R)-glycidyl etherRefChem:390945Benzyl (-)-glycidyl ether604-513-614618-80-5(R)-2-((Benzyloxy)methyl)oxirane(R)-(-)-Benzyl glycidyl ether(r)-benzyloxymethyl-oxiraneBenzyl (R)-(-)-Glycidyl Ether(R)-Benzyl glycidyl ether(2R)-2-[(benzyloxy)methyl]oxiraneMFCD00068409
Show more names
tert-butyl 3-oxoazepane-1-carboxylateazepan-3-onedicyclopropylmethanaminetert-butyl 4-hydroxyazepane-1-carboxylatebenzyl 3-hydroxypiperidine-1-carboxylatetert-butyl 3-hydroxyazepane-1-carboxylate2-(trimethylsilyl)ethanaminebenzyl piperidin-3-ylcarbamate(2R)-2-(Benzyloxymethyl)oxiranetert-butyl azepan-4-ylcarbamate
(R)-(-)-Glycidyl benzyl ether(R)-O-Benzylglycidol(2R)-2-(phenylmethoxymethyl)oxirane(R)-(-)-2-(Benzyloxymethyl)oxirane(R)-2-(benzyloxymethyl)oxirane(R)-benzylglycidyl etherOxirane, ((phenylmethoxy)methyl)-, (R)-DTXSID10932782
Database identifiers
- CAS
14618-80-5- PubChem CID
- 159746
- DTXSID
DTXSID10932782- EC Number
- 604-513-6
- Nikkaji
- J82.509C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 88 · 88-93°C
- Boiling point
- 130 °C · 130 °C (0.1 mmHg)
- alpha
- -5.4 · -5.4 º (c=5 in toluene)
- Density
- 1.077 g/mL · 1.077 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.517(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- paste (yellow)
- Specific Gravity
- 1.077 · 1.077
- color
- Colorless to Almost colorless
- optical activity
- 20 · [α]20/D 5.4°, c = 5 in toluene
- Viscosity
- 40000 · 40000-55000mPa.s(20°C) (Analysis carried out at 20°C with 20mm 4 degree cone/plate; 40 s-1))
- Water Solubility
- Soluble in water.
- BRN
- 3588399 · 3588399
- InChI
- InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m0/s1
- InChIKey
- QNYBOILAKBSWFG-JTQLQIEISA-N
- SMILES
- O1C[C@@H]1COCC1=CC=CC=C1
- CAS DataBase Reference
- 14618 · 14618-80-5(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 2860020 · TX2860020
- HS Code
- 29109000 · 29109000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 660 nmol/plate · mic-sat 660 nmol/plate MUREAV 298,197,1993
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Warning
H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TX2860020
- ridadr
- NA 1993 / PGIII
- hs_code
- 29109000
- Toxicity
- mic-sat 660 nmol/plate MUREAV 298,197,1993
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
UsesUsed in the preparation of the lactone fragment of compactin and mevinolin. Chiron in the preparation of syn-1,3-polyols, dideoxynucleosides, and a spiroacetal cyanohydrin.
General Description1H-Pyrazol-3-ylboronic acid hydrate can be used as a reactant in the Suzuki-Miyaura coupling reaction to synthesize pyrazole derivatives by reacting with different aryl halides over the palladium catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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